3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol
3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol structure
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Common Name | 3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol | ||
|---|---|---|---|---|
| CAS Number | 221352-10-9 | Molecular Weight | 161.993 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 242.5±43.0 °C at 760 mmHg | |
| Molecular Formula | C9H11BO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 100.4±28.2 °C | |
| Name | 1-hydroxy-3,3-dimethyl-2,1-benzoxaborole |
|---|---|
| Synonym | More Synonyms |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 242.5±43.0 °C at 760 mmHg |
| Molecular Formula | C9H11BO2 |
| Molecular Weight | 161.993 |
| Flash Point | 100.4±28.2 °C |
| Exact Mass | 162.085205 |
| PSA | 29.46000 |
| LogP | 0.63940 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.531 |
| InChIKey | XPHBVPSNNPMQPE-UHFFFAOYSA-N |
| SMILES | CC1(C)OB(O)c2ccccc21 |
| Hazard Codes | Xi |
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~41%
3,3-Dimethyl-2,... CAS#:221352-10-9 |
| Literature: Cheung, Wing S.; Parks, Daniel J.; Parsons, William H.; Patel, Sharmila; Player, Mark R. Patent: US2008/146637 A1, 2008 ; Location in patent: Page/Page column 44 ; |
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~80%
3,3-Dimethyl-2,... CAS#:221352-10-9 |
| Literature: Player, Mark R.; Dax, Scott L.; Parsons, William H.; Brandt, Michael Richard; Calvo, Raul R.; Patel, Sharmila; Liu, Jian; Cheung, Wing S.; Jetter, Michele C.; Lee, Yu-Kai; Youngman, Mark A.; Pan, Wenxi; Weils, Kenneth M.; Beauchamp, Derek A. Patent: US2007/259936 A1, 2007 ; Location in patent: Page/Page column 168 ; US 20070259936 A1 |
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~61%
3,3-Dimethyl-2,... CAS#:221352-10-9 |
| Literature: Tomsho, John W.; Pal, Arnab; Hall, Dennis G.; Benkovic, Stephen J. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 1 p. 48 - 52 |
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~%
3,3-Dimethyl-2,... CAS#:221352-10-9 |
| Literature: REMPEX PHARMACEUTICALS, INC.; GLINKA, Tomasz; HIGUCHI, Robert; HECKER, Scott; EASTMAN, Brian; RODNY, Olga Patent: WO2012/109164 A1, 2012 ; WO 2012/109164 A1 |
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~%
3,3-Dimethyl-2,... CAS#:221352-10-9 |
| Literature: ANACOR PHARMACEUTICALS, INC.; ORR, Matthew; JENKS, Matthew Patent: WO2011/19616 A1, 2011 ; |
| QC-4857 |
| 3,3-Gem-Dimethyl Benzoxaborole |